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Opis: In real environments, copper and other metal surfaces are never clean. Even during active dissolution in corrosion, they are likely to be covered with adsorbed corrosion-relevant species such as O, OH, H, and Cl. To explore the impact of such species on the bonding of imidazole, used herein as an archetypal model of azole corrosion inhibitors on Cu(111), we conducted a systematic computational study based on the Density-Functional Theory. Over 400 diverse adsorption configurations were considered, with close attention paid to the effects of variables such as surface coverage, the type of corrosion-relevant species, and the distance between the imidazole molecule and the corrosion-relevant species. We demonstrate that O and Cl enhance the adsorption bonding of imidazole, while H has almost no effect, and OH either diminishes or has a negligible impact on the imidazole adsorption. The effect of the adsorbed corrosion-relevant species on the imidazole adsorption usually diminishes with the increasing distance between adsorbed species and imidazole, and with decreasing coverage of corrosion-relevant species. We identified three coadsorption effects of O, OH, H, and Cl on the non-dissociative adsorption of imidazole, including hydrogen bond formation, enhancement of the N–Cu bond, and work-function change induced by coadsorbates. We also found that if the coverage of corrosion-relevant species is too high, then the chemisorption of imidazole is prevented either sterically or due to the unavailability of free surface sites. Moreover, our study shows that chemisorbed O and OH species promote deprotonation of azole molecules on the investigated copper surfaces, as exemplified by benzotriazole, imidazole, and Cu(111). The N–H bond cleavage is involved in such deprotonation. By undergoing molecular deprotonation during adsorption, the resulting adsorption states are more stable, which increases the persistence of chemisorbed azole molecules. Our findings demonstrate that deprotonated benzotriazole molecules exhibit stability that is roughly 1 eV higher on O/Cu(111) and OH/Cu(111), compared to an adsorbed intact molecule on bare Cu(111). However, for imidazole, the degree of stabilization is significantly weaker and ranges from 0.1 to 0.5 eV. Further, we investigated the formation of coordination complexes between copper central ions and 19 different N-heterocyclic inhibitor molecules in an aqueous medium, using a cluster/continuum model, which involves a few explicit water molecules and the surrounding water described implicitly. Our results indicate that most of the investigated ligands have the potential to coordinate with Cu(I) and Cu(II) ions, forming stable two- or fourcoordinated complexes, respectively. The thermodynamic stability of these coordination compounds was also evaluated.
Ključne besede: copper, corrosion, azole corrosion, doctoral dissertation
Objavljeno v ReVIS: 06.05.2026; Ogledov: 195; Prenosov: 1
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Objavljeno v ReVIS: 06.05.2026; Ogledov: 171; Prenosov: 1
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Opis: In recent years, there have been significant breakthroughs in technological advancements and the digitalization of society. While the digital development has been in many ways beneficial it has also brought along new challenges and risks while it has reshaped the questions about human nature, the normative structure of society, and the manners of social interpretation. In the paper, I will investigate how three of the key aspects of Nietzsche’s philosophy – the concept of eternal return as constructive repetition, the perspectivist outlook on the questions regarding truth and values, and the blending of literal and metaphorical language in description of the world – can be productively engaged in a dialogue with contributions from philosophical hermeneutics and critical theory of society and help better understand and perhaps provide some ways to mitigate the negative effects of the critical social phenomena of today: the near emergence of virtual societies that simulate or even improve reality but might become dystopian in effect, the problematic assessment of normative structure of society, and changes to the manners of public communication due to successive crises, digital transformation of society (including the advent of new social media), and the rise of radical politics. The questioning of the ever more pervading and ever less regulated discriminating and dehumanizing speech that is one of the final outcomes of the disintegration of hate speech regulation may be a particularly urgent task in today’s society – and Nietzsche’s philosophy may have some clues on how to tackle it.
Ključne besede: political philosophy, philosophical hermeneutics, social philosophy, perspectivism, repetition, public communication, critical theory of society
Objavljeno v ReVIS: 06.05.2026; Ogledov: 193; Prenosov: 3
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Opis: Informacijsko-komunikacijska tehnologija (IKT) potiče osuvremenjivanje obrazovanja prilagođenog generacijama Z i Alpha koje od rođenja žive uz prisustvo raznih tehnologija. IKT alati unatoč tome nisu uvijek široko prihvaćeni, nego se javlja otpor prema novim, nepoznatim IKT alatima unatoč mogućim benefitima. U srednjoškolskom obrazovanju na prihvaćanje IKT-a utječu brojni čimbenici, među kojima je osobito značajna intrinzična i ekstrinzična motivacija. U istraživanju se ispituje koji motivatori utječu na prihvaćanje IKT-a među srednjoškolcima u Republici Hrvatskoj. Istraživanje je provedeno na uzorku od 403 učenika starijih od 16 godina. Za ispitivanje prihvaćanja tehnologije korištene su skale modela prihvaćanja tehnologije (TAM) te dodatne skale motivacijskih varijabli. Primijenjen je kvantitativni pristup temeljen na strukturiranom modeliranju jednadžbi (SEM), a podatci su obrađeni u programu R. Zbog odstupanja od normalne distribucije podataka, korišteni su neparametrijski testovi, kao i regresijske i korelacijske analize. Učenici se u korištenju IKT-a ne razlikuju s obzirom na spol, dob, razred i opći uspjeh u prethodnom razredu. Razlike postoje s obzirom na županiju stanovanja, obrazovni program i imovinski status. Intrinzični motivatori poput zadovoljstva i snage volje pri korištenju novih IKT te ekstrinzični motivatori poput utjecaja prijatelja i medija na korištenje IKT-a pokazali su najjaču povezanost s namjerom korištenja IKT-a. Intrinzična i ekstrinzična motivacija imaju važnu ulogu i ako je učenik samomotiviran te uz to postoji utjecaj medija ili prijatelja, povećava se namjera korištenja IKT-a. Rezultati istraživanja pružaju smjernice za razvoj uspješne komunikacijske strategije i bolje prihvaćanje IKT-a, kako bi se prilikom implementacije osigurala pozitivnija percepcija i bolje prihvaćanje IKT-a.
Ključne besede: informacijsko-komunikacijska tehnologija, intrinzična motivacija, ekstrinzična motivacija, e-učenje, strukturirani model jednadžbi
Objavljeno v ReVIS: 06.05.2026; Ogledov: 123; Prenosov: 4
Celotno besedilo (2,79 MB)
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Ključne besede: celulozni nanomateriali, nanomateriali, nanotehnologija, biopolimeri, hidrofobizacija, hidrofobne površine, nanodelci, nanokristali, mehanska fibrilacija
Objavljeno v ReVIS: 06.05.2026; Ogledov: 150; Prenosov: 1
Celotno besedilo (51,98 MB)